HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=80",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=78",
"results": [
{
"id": "mp-684580",
"created_at": "2022-09-04T14:47:57.679058Z",
"structure_string": "Ag1 I1\n1.0\n-2.394580 2.394580 3.194773\n2.394580 -2.394580 3.194773\n2.394580 2.394580 -3.194773\nAg I\n1 1\ndirect\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.320322248904008,
"density_atomic": 0.027294258298916935,
"volume": 73.27548446624623,
"volume_molar": 22.063764085646408,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -5.29475304,
"energy_per_atom": -2.64737652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91575304,
"band_gap": 1.704,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.401000Z",
"spacegroup": 119
},
{
"id": "mp-1182980",
"created_at": "2022-09-04T14:45:58.000667Z",
"structure_string": "Ag1 I1\n1.0\n5.179415 -8.971011 0.000000\n5.179415 8.971011 0.000000\n0.000000 0.000000 7.883519\nAg I\n1 1\ndirect\n0.000000 0.000000 0.997507 Ag\n0.000000 0.000000 0.672493 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 0.5321381835694491,
"density_atomic": 0.0027299694179338564,
"volume": 732.608939448734,
"volume_molar": 220.5937077697296,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -3.65522895,
"energy_per_atom": -1.827614475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27622895,
"band_gap": 1.8797,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.62e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.890000Z",
"spacegroup": 183
},
{
"id": "mp-580941",
"created_at": "2022-09-04T14:46:58.129682Z",
"structure_string": "Ag4 I4\n1.0\n2.424317 -4.199040 0.000000\n2.424317 4.199040 0.000000\n0.000000 0.000000 14.487235\nAg I\n4 4\ndirect\n0.000000 0.000000 0.268453 Ag\n0.666667 0.333333 0.470335 Ag\n0.333333 0.666667 0.970335 Ag\n0.000000 0.000000 0.768453 Ag\n0.000000 0.000000 0.006254 I\n0.666667 0.333333 0.254958 I\n0.333333 0.666667 0.754958 I\n0.000000 0.000000 0.506254 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.286907458662272,
"density_atomic": 0.027122834111960977,
"volume": 294.9544272171785,
"volume_molar": 22.203213481087797,
"formula_full": "Ag4 I4",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -20.8117399,
"energy_per_atom": -2.6014674875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.2957399,
"band_gap": 1.3759,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.78e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.778000Z",
"spacegroup": 186
},
{
"id": "mp-33154",
"created_at": "2022-09-04T14:44:59.263298Z",
"structure_string": "Ag1 I2\n1.0\n4.285728 0.000000 0.000000\n0.000000 4.285728 0.000000\n0.000000 0.000000 6.354781\nAg I\n1 2\ndirect\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.777762 I\n0.000000 0.500000 0.222238 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.145414428420103,
"density_atomic": 0.02570226857621334,
"volume": 116.721214359125,
"volume_molar": 23.43038608495947,
"formula_full": "Ag1 I2",
"formula_reduced": "AgI2",
"formula_anonymous": "AB2",
"energy": -6.78974781,
"energy_per_atom": -2.2632492699999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.031747810000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.405000Z",
"spacegroup": 115
},
{
"id": "mp-22915",
"created_at": "2022-09-04T14:47:15.647384Z",
"structure_string": "Ag1 I1\n1.0\n3.855000 0.000000 0.000000\n0.000000 3.855000 0.000000\n0.000000 0.000000 3.855000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 6.804927293483764,
"density_atomic": 0.03491056266224425,
"volume": 57.289251375,
"volume_molar": 17.250196790763674,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -4.51699498,
"energy_per_atom": -2.25849749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.13799498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.11e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.047000Z",
"spacegroup": 221
},
{
"id": "mp-1183229",
"created_at": "2022-09-04T14:48:04.420701Z",
"structure_string": "Ag1 Ir1\n1.0\n1.378673 -2.387931 0.000000\n1.378673 2.387931 0.000000\n0.000000 0.000000 4.893009\nAg Ir\n1 1\ndirect\n0.000000 0.000000 0.500000 Ag\n0.666667 0.333333 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir",
"density": 15.46694780888715,
"density_atomic": 0.06207846096034101,
"volume": 32.217293551747446,
"volume_molar": 9.700853833743173,
"formula_full": "Ag1 Ir1",
"formula_reduced": "AgIr",
"formula_anonymous": "AB",
"energy": -10.95750307,
"energy_per_atom": -5.478751535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.95750307,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0206489,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.318000Z",
"spacegroup": 187
},
{
"id": "mp-2247",
"created_at": "2022-09-04T14:40:33.941808Z",
"structure_string": "Ag2 N6\n1.0\n-2.706668 3.182683 3.342178\n2.706668 -3.182683 3.342178\n2.706668 3.182683 -3.342178\nAg N\n2 6\ndirect\n0.750000 0.500000 0.250000 Ag\n0.250000 0.500000 0.750000 Ag\n0.906584 0.093463 0.186879 N\n0.593416 0.280294 0.686879 N\n0.000000 0.000000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.093416 0.906537 0.813121 N\n0.406584 0.719706 0.313121 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 4.322439136641746,
"density_atomic": 0.06946596076247445,
"volume": 115.16431806585773,
"volume_molar": 8.669196674025077,
"formula_full": "Ag2 N6",
"formula_reduced": "AgN3",
"formula_anonymous": "AB3",
"energy": -52.85054684999999,
"energy_per_atom": -6.606318356249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.68454685,
"band_gap": 1.5714,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.822000Z",
"spacegroup": 72
},
{
"id": "mp-985299",
"created_at": "2022-09-04T14:44:16.322538Z",
"structure_string": "Ag3 N1\n1.0\n-1.963377 1.963377 4.059152\n1.963377 -1.963377 4.059152\n1.963377 1.963377 -4.059152\nAg N\n3 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 8.957016366320707,
"density_atomic": 0.063908303266209,
"volume": 62.589676076018876,
"volume_molar": 9.423095986314753,
"formula_full": "Ag3 N1",
"formula_reduced": "Ag3N",
"formula_anonymous": "AB3",
"energy": -12.91200206,
"energy_per_atom": -3.228000515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.55100206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.177000Z",
"spacegroup": 139
},
{
"id": "mp-571297",
"created_at": "2022-09-04T14:46:01.289401Z",
"structure_string": "Ag2 N6\n1.0\n-2.913636 2.913636 3.012858\n2.913636 -2.913636 3.012858\n2.913636 2.913636 -3.012858\nAg N\n2 6\ndirect\n0.250000 0.250000 0.000000 Ag\n0.750000 0.750000 0.000000 Ag\n0.644092 0.144092 0.788185 N\n0.355908 0.855908 0.211815 N\n0.144092 0.355908 0.500000 N\n0.000000 0.500000 0.500000 N\n0.855908 0.644092 0.500000 N\n0.500000 0.000000 0.500000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 4.865613227821148,
"density_atomic": 0.07819531678398606,
"volume": 102.30791726440519,
"volume_molar": 7.701408482858527,
"formula_full": "Ag2 N6",
"formula_reduced": "AgN3",
"formula_anonymous": "AB3",
"energy": -52.69057207,
"energy_per_atom": -6.58632150875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.52457207,
"band_gap": 1.6314999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.702000Z",
"spacegroup": 140
},
{
"id": "mp-1428312",
"created_at": "2022-09-04T14:39:25.250695Z",
"structure_string": "Ag1 N1\n1.0\n2.874302 0.000000 0.000000\n0.000000 2.874302 0.000000\n0.000000 0.000000 2.874302\nAg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 8.522483686675045,
"density_atomic": 0.08422340679450355,
"volume": 23.746367858044433,
"volume_molar": 7.150198488994165,
"formula_full": "Ag1 N1",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -7.86533415,
"energy_per_atom": -3.932667075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.50433415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.241000Z",
"spacegroup": 221
},
{
"id": "mp-1056955",
"created_at": "2022-09-04T14:42:24.775257Z",
"structure_string": "Ag1 N1\n1.0\n0.000000 2.308080 2.308080\n2.308080 0.000000 2.308080\n2.308080 2.308080 0.000000\nAg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 8.229639302256075,
"density_atomic": 0.0813293734794304,
"volume": 24.59136120734822,
"volume_molar": 7.404631933532727,
"formula_full": "Ag1 N1",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -8.329642400000001,
"energy_per_atom": -4.1648212000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.9686424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.994000Z",
"spacegroup": 225
},
{
"id": "mp-1091417",
"created_at": "2022-09-04T14:42:51.663300Z",
"structure_string": "Ag4 N4\n1.0\n2.843252 -2.950325 0.000000\n2.843252 2.950325 0.000000\n0.000000 0.000000 7.138863\nAg N\n4 4\ndirect\n0.336578 0.663422 0.341579 Ag\n0.663422 0.336578 0.658421 Ag\n0.163422 0.836578 0.841579 Ag\n0.836578 0.163422 0.158421 Ag\n0.839248 0.660752 0.250000 N\n0.660752 0.839248 0.750000 N\n0.160752 0.339248 0.750000 N\n0.339248 0.160752 0.250000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 6.758948000262353,
"density_atomic": 0.06679527328624124,
"volume": 119.76895379583502,
"volume_molar": 9.015818730455686,
"formula_full": "Ag4 N4",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -32.5151656,
"energy_per_atom": -4.0643957,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.0711656,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006899,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.173000Z",
"spacegroup": 64
}
]
}